5UH5

Crystal structure of Mycobacterium tuberculosis transcription initiation complex containing 3 nt of RNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-03-09
Detector	DECTRIS PILATUS3 R CdTe 300K
Wavelength(s)	1.03316
Spacegroup name	P 21 21 21
Unit cell lengths	150.343, 163.641, 195.547
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.600 - 3.746
R-factor	0.1962
Rwork	0.194
R-free	0.24820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4g7h
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.880
High resolution limit [Å]	3.750	8.070	3.750
Rmerge	0.175	0.084	0.710
Rmeas	0.184	0.087	0.764
Rpim	0.055	0.025	0.273
Total number of observations	522522
Number of reflections	50207
<I/σ(I)>	4.4
Completeness [%]	99.7	99.7	99.3
Redundancy	10.4	12.3	7.4
CC(1/2)		0.995	0.471

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		297	400 ul 50 mM Tris-HCl, pH 8.2, 200 mM KCl, 50 mM MgCl2, and 10% PEG3350